! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -5.3377179319   0.8263635531   0.8648322508
F   -0.6109840353  -1.8922981975  -1.7835723957
F   -1.8507642041  -0.4121950513  -2.7231225513
F    0.0134300321   0.1652482295  -1.8261645169
O    2.1922157984   1.4855036818  -0.0876417713
N    2.4883644868  -1.1120701190   0.9073246575
N    0.2227397663  -1.1390340303   0.8459319261
N    4.6376940761  -1.5240334750   1.1737412034
C    1.2685245287  -0.4361651587   0.8956344564
C    1.3421399604   1.0682481700   0.9368063899
C    2.3488302459   2.8881787688  -0.1456205925
C   -1.0586762629  -0.6038282965   0.8291890861
C    3.3451530237   3.2315416494  -1.2318868627
C   -1.7477189302  -0.3899974172  -0.3710557458
C   -1.7211910022  -0.3691509644   2.0320078305
C   -3.0630740646   0.0544262082  -0.3561801507
C    2.6620080406  -2.4610822186   0.6700818584
C    2.9323209032   2.7581472415  -2.6177119117
C    3.7254557732  -0.6057296664   1.2073097398
C   -1.0527378258  -0.6342519479  -1.6756397731
C   -3.0310349225   0.0730782356   2.0502026553
C   -3.6952353347   0.2814634022   0.8529423188
C    3.9872426722  -2.6865684791   0.8330458186
H    1.7010291881   1.3828302093   1.9285505234
H    0.3323749831   1.4809021676   0.8307073539
H    2.7009334393   3.2715801722   0.8218067361
H    1.3824744677   3.3703072554  -0.3501736018
H    3.4594620526   4.3185001938  -1.2304669992
H    4.3240955011   2.8208434694  -0.9693174897
H   -1.2032599675  -0.5488411563   2.9648031764
H   -3.5995072625   0.2265254978  -1.2785637774
H    1.8445485664  -3.1076788429   0.4042901752
H    2.8551767168   1.6722546222  -2.6706440491
H    1.9651966266   3.1733862830  -2.9086557422
H    3.6611941739   3.0709245865  -3.3665625236
H    3.8941298579   0.4297064578   1.4513740408
H   -3.5265465866   0.2492571102   2.9952572846
H    4.5161507798  -3.6200316081   0.7223033889
*